Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | AGPAT2 | O15120 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 3/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5225564 | 0.81 | KDR (0.38) | KDRAGPAT2KDM4EALDH1A1CYP1A2 | |
| SCHEMBL5225363 | 0.79 | RAF1 (0.39) | KDRAURKBNPC1RAB9APOLB | |
| SCHEMBL5227201 | 0.76 | BRAF (0.48) | KDRNPC1RAB9APOLBMAPT | |
| SCHEMBL5225357 | 0.75 | NPC1 (0.40) | KDRPTK2PLK1AURKBAGPAT2 | |
| SCHEMBL5223899 | 0.74 | ALDH1A1 (0.45) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL4980380 | 0.73 | BRAF (0.37) | KDRAURKBNPC1RAB9APOLB | |
| SCHEMBL5228478 | 0.73 | NPC1 (0.41) | AGPAT2NPC1RAB9APOLBMAPT | |
| SCHEMBL5226236 | 0.73 | BRAF (0.45) | KDRNPC1RAB9APOLBMAPT | |
| SCHEMBL588578 | 0.73 | RAB9A (0.52) | NPC1RAB9APOLBMAPTKDM4E | |
| SCHEMBL5227034 | 0.71 | KDR (0.68) | KDRPTK2AURKBCYP1A2BRAF |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1487824-B1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-06-20 | — | — | EP | disclosed |